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首页> 外文期刊>Journal of Physics. Condensed Matter >The dynamical crossover phenomenon in bulk water, confined water and protein hydration water
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The dynamical crossover phenomenon in bulk water, confined water and protein hydration water

机译:散装水,承压水和蛋白质水合水中的动力交换现象

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摘要

We discuss a phenomenon regarding water that was until recently a subject of scientific controversy, i.e.the dynamical crossover from fragile-to-strong glass-forming material, for both bulk and protein hydration water. Such a crossover is characterized by a temperature T _L at which significant dynamical changes occur, such as violation of the StokesEinstein relation and changes of behaviour of homologous transport parameters such as the density relaxation time and the viscosity. In this respect we will consider carefully the dynamic properties of waterprotein systems. More precisely, we will study proteins and their hydration water as far as bulk and confined water. In order to clarify the controversy we will discuss in a comparative way many previous and new experimental data that have emerged using different techniques and molecular dynamic simulation (MD). We point out the reasons for the different dynamical findings from the use of different experimental techniques.
机译:我们讨论了有关水的一种现象,直到最近,它还是一个引起科学争议的话题,即从散装水到蛋白质水合水,从易碎到坚固的玻璃形成材料的动态转换。这种交叉的特征在于温度T _L,在该温度下发生显着的动态变化,例如违反斯托克斯-爱因斯坦关系,以及诸如密度弛豫时间和粘度的同源传输参数的行为变化。在这方面,我们将仔细考虑水蛋白系统的动态特性。更确切地说,我们将研究蛋白质及其水合水,直至散装和受限水为止。为了澄清争议,我们将以比较的方式讨论使用不同技术和分子动力学模拟(MD)出现的许多先前和新的实验数据。我们指出了使用不同实验技术产生不同动力学结果的原因。

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